Ethyl 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate CAS 77195-47-2
| CAS No. | 77195-47-2 |
| Molecular Formula | C13H10F3N3O3 |
| Molecular Weight | 313.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Ethyl 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate (CAS 77195-47-2), a certified reference material (molecular formula C13H10F3N3O3, MW 313.23 g/mol) for analytical method development and quality control.
Structurally, Ethyl 5-hydroxy-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carboxylate (C13H10F3N3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 313.23 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H10F3N3O3 |
| Molecular Weight | 313.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- Ethyl 4-[3-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylate (CAS 338761-66-3)
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- 5-Methyl-N4-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3,4-dicarboxamide (CAS 338761-36-7)
- N-(3-bromobenzyl)-3-morpholinopropan-1-amine (CAS 827328-03-0)
- 2-Chloro-N-(2-hydroxyethyl)-4-(piperidin-1-yl)benzamide (CAS 952183-00-5)
- 2-(4-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile (CAS 77691-67-9)
- 2-Cyano-3-(2,4-difluorophenyl)propionic Acid (CAS 2044707-06-2)
- 4-[[3-(benzenesulfonyl)phenyl]sulfonylamino]benzoate 4-[[3-(phenylsulfonyl)phenyl]sulfonylamino]benzoate 6745-75-1 A835756 (CAS 6745-75-1)
- 6-Chloro-5-iodo-3-nitropyridin-2-amine (CAS 790692-90-9)
- Ubidecarenone Impurity 2(Coenzyme Q10) (CAS 65085-29-2)
- Prop-2-yn-1-yl (4-hydroxyphenyl)carbamate (CAS 54840-14-1)
- 2-(3-Methyl-4-nitro-1h-pyrazol-1-yl)propanoic acid (CAS 956950-97-3)
- (S)-2-(4-Fluorophenyl)-3-methylbutanoic acid (CAS 55332-37-1)
- Semaglutide Impurity 9 (CAS CATO-C4X-22269)
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